N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline

C25H19NS — CID 153216345

IUPACN-(dibenzothiophen-4-ylmethyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(NCc3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C25H19NS/c1-2-7-18(8-3-1)19-13-15-21(16-14-19)26-17-20-9-6-11-23-22-10-4-5-12-24(22)27-25(20)23/h1-16,26H,17H2
InChIKeyWMTYVFAULQJZJG-UHFFFAOYSA-N
MW365.50 g/mol
LogP7.33
Rot. Bonds4

About N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline

N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline (PubChem CID 153216345) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(dibenzothiophen-4-ylmethyl)-4-phenylaniline
PubChem CID153216345
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC NameN-(dibenzothiophen-4-ylmethyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(NCc3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C25H19NS/c1-2-7-18(8-3-1)19-13-15-21(16-14-19)26-17-20-9-6-11-23-22-10-4-5-12-24(22)27-25(20)23/h1-16,26H,17H2
InChIKeyWMTYVFAULQJZJG-UHFFFAOYSA-N
XLogP7.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N'-(dibenzothiophen-4-ylmethylamino)benzenecarboximidamide
CID 90070940
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
ethane;4-ethyldibenzothiophene
CID 123227550
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209

Frequently Asked Questions

What is the IUPAC name of N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline?
The IUPAC name of N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline (CID 153216345) is N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline.
What is the SMILES notation for N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline?
The canonical SMILES for N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline is c1ccc(-c2ccc(NCc3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline?
The InChIKey is WMTYVFAULQJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-2-7-18(8-3-1)19-13-15-21(16-14-19)26-17-20-9-6-11-23-22-10-4-5-12-24(22)27-25(20)23/h1-16,26H,17H2.
What are the key properties of N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline?
N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline has a molecular weight of 365.50 g/mol, XLogP of 7.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline is sourced from PubChem (CID 153216345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).